Monomers
N-Allylstearamide
Identifiers
IUPAC name
N-prop-2-enyloctadecanamide
InchI
InChI=1S/C21H41NO/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(23)22-20-4-2/h4H,2-3,5-20H2,1H3,(H,22,23)
InchI Key
HKKGHYAJDLYYNC-UHFFFAOYSA-N
SMILES
CCCCCCCCCCCCCCCCCC(=O)NCC=C
Canonical SMILES
CCCCCCCCCCCCCCCCCC(=O)NCC=C
Isomeric SMILES
CCCCCCCCCCCCCCCCCC(=O)NCC=C
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C21H41NO
Heavy Atom Count
23
Molecular Weight
323.565
Exact Molecular Weight
323.3188
Valence Electrons
136
Radical Electrons
0
tPSA
29.1
MolLogP
6.5501
H Bond Acceptors
1
H Bond Donors
1
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0
MOL File
RDKit 3D
64 63 0 0 0 0 0 0 0 0999 V2000
-8.9167 2.5111 1.0579 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.2527 1.2151 1.4822 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.8730 1.0832 0.8230 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.3036 -0.2049 1.2930 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9008 -0.3985 0.6962 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9321 -0.4371 -0.7955 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6739 -0.7007 -1.4978 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4957 0.1499 -1.4212 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7625 0.3855 -0.1746 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5505 1.3102 -0.4316 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4189 0.7447 -1.4036 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0022 -0.5862 -0.9806 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7394 -0.5105 0.3139 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2797 -1.8731 0.6678 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2084 -2.3543 -0.3877 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3943 -1.4645 -0.6154 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2537 -1.2855 0.5900 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3814 -0.3932 0.2372 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5135 0.0874 -0.9114 O 0 0 0 0 0 0 0 0 0 0 0 0
7.3578 -0.0557 1.2125 N 0 0 0 0 0 0 0 0 0 0 0 0
8.4512 0.8144 0.8556 C 0 0 0 0 0 0 0 0 0 0 0 0
9.2850 0.2856 -0.2285 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4297 0.9489 -1.3640 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.4908 3.3863 1.6102 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.8486 2.6434 -0.0376 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.9924 2.4347 1.3130 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.1726 1.1691 2.5821 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.8687 0.3695 1.1460 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2378 1.9620 1.0271 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.0675 1.0622 -0.2694 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.9200 -1.0384 0.8929 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2094 -0.2615 2.3764 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3434 0.4772 1.1015 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4607 -1.3286 1.1031 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4821 0.4599 -1.2194 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6698 -1.2737 -1.0465 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3959 -1.7982 -1.3008 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9236 -0.7814 -2.6236 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7139 1.1520 -1.8949 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7304 -0.3145 -2.1454 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2769 -0.5574 0.2241 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2539 0.8366 0.6737 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0917 1.5541 0.5272 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9727 2.2367 -0.8704 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0034 0.6341 -2.4092 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3116 1.4261 -1.5397 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2516 -1.3764 -0.9609 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7649 -0.8237 -1.7780 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1295 -0.0793 1.1393 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6080 0.1991 0.1823 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4058 -2.5905 0.6867 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6927 -1.9168 1.6887 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6422 -3.3611 -0.0981 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7121 -2.5501 -1.3562 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1132 -0.4666 -1.0087 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0541 -1.9043 -1.4198 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6074 -2.2822 0.9181 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6998 -0.8094 1.4325 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3147 -0.4203 2.1967 H 0 0 0 0 0 0 0 0 0 0 0 0
9.0193 1.0562 1.7710 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9774 1.7871 0.5347 H 0 0 0 0 0 0 0 0 0 0 0 0
9.7927 -0.6586 -0.1082 H 0 0 0 0 0 0 0 0 0 0 0 0
10.0401 0.5823 -2.1836 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9356 1.8928 -1.5127 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 1 0
4 5 1 0
5 6 1 0
6 7 1 0
7 8 1 0
8 9 1 0
9 10 1 0
10 11 1 0
11 12 1 0
12 13 1 0
13 14 1 0
14 15 1 0
15 16 1 0
16 17 1 0
17 18 1 0
18 19 2 0
18 20 1 0
20 21 1 0
21 22 1 0
22 23 2 3
1 24 1 0
1 25 1 0
1 26 1 0
2 27 1 0
2 28 1 0
3 29 1 0
3 30 1 0
4 31 1 0
4 32 1 0
5 33 1 0
5 34 1 0
6 35 1 0
6 36 1 0
7 37 1 0
7 38 1 0
8 39 1 0
8 40 1 0
9 41 1 0
9 42 1 0
10 43 1 0
10 44 1 0
11 45 1 0
11 46 1 0
12 47 1 0
12 48 1 0
13 49 1 0
13 50 1 0
14 51 1 0
14 52 1 0
15 53 1 0
15 54 1 0
16 55 1 0
16 56 1 0
17 57 1 0
17 58 1 0
20 59 1 0
21 60 1 0
21 61 1 0
22 62 1 0
23 63 1 0
23 64 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers